dimethyl 4-iodo-1H-pyrazole-3,5-dicarboxylate


Chemical Name: dimethyl 4-iodo-1H-pyrazole-3,5-dicarboxylate
CAS Number: 1027819-68-6
Product Number: AG008XKY(AGN-PC-01XG3G)
Synonyms:
MDL No:
Molecular Formula: C7H7IN2O4
Molecular Weight: 310.0459

Identification/Properties


Computed Properties
Molecular Weight:
310.047g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
309.945g/mol
Monoisotopic Mass:
309.945g/mol
Topological Polar Surface Area:
81.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
248
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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